In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 18 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.27 | 4.05 | -47.07 | 3 | 3 | 1 | 44 | 244.362 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.27 | 4.72 | -84.98 | 4 | 3 | 2 | 45 | 245.37 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.27 | 6.2 | -34.63 | 3 | 3 | 1 | 43 | 244.362 | 6 | ↓ |